SCHEMBL700052

SCHEMBL700052

Fc1ccc(C=Cc2ccc(F)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.78
PTGS1 P23219 2/20 0.64
APP P05067 1/20 0.64
HSD11B1 P28845 1/20 0.59
NQO2 P16083 1/20 0.56
ALOX5 P09917 1/20 0.56
PTGS2 P35354 1/20 0.56
FBP1 P09467 1/20 0.54
TNFRSF1A P19438 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22468800 1.00 NFE2L2 (0.78) NFE2L2PTGS1APPHSD11B1NQO2
SCHEMBL700051 1.00 NFE2L2 (0.78) NFE2L2PTGS1APPHSD11B1NQO2
SCHEMBL13766558 1.00 NFE2L2 (0.78) NFE2L2PTGS1APPHSD11B1NQO2
SCHEMBL13766470 1.00 NFE2L2 (0.78) NFE2L2PTGS1APPHSD11B1NQO2
SCHEMBL13267809 0.91 NFE2L2 (0.67) NFE2L2PTGS1APPHSD11B1NQO2
SCHEMBL700760 0.88 NFE2L2 (1.00) NFE2L2PTGS1APP
SCHEMBL700761 0.88 NFE2L2 (1.00) NFE2L2PTGS1APP
SCHEMBL18867936 0.88 NFE2L2 (1.00) NFE2L2PTGS1APP
SCHEMBL4946969 0.88 NFE2L2 (1.00) NFE2L2PTGS1APP
SCHEMBL9970459 0.87 NFE2L2 (0.62) NFE2L2PTGS1APPHSD11B1NQO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
EP-2810198-B1 ANTI-INVASIVE COMPOUNDS UNIV GENT (BE) 2023-07-12 EP disclosed
US-9616099-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2017-04-11 US disclosed
EP-3038626-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C Enanta Pharmaceuticals, Inc. (US) 2016-07-06 EP disclosed
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARM INC (US) 2016-05-19 US disclosed
US-9290427-B2 Anti-invasive compounds UNIVERSITEIT GENT (BE) 2016-03-22 US disclosed
US-9221878-B2 Cyclosporin analogues for preventing or treating hepatitis C infection ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
WO-2015031381-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C ENANTA PHARMACEUTICALS, INC. (US) 2015-03-05 WO disclosed
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20150011620-A1 ANTI-INVASIVE COMPOUNDS UNIVERSITEIT GENT (BE) 2015-01-08 US disclosed
US-4980367-A CONTROLLING PLANT DISEASES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-12-25 US disclosed
EP-0390850-A4 ANTIFUNGAL CARBINOLS 1990-12-05 EP disclosed
EP-0390850-A1 ANTIFUNGAL CARBINOLS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-10-10 EP disclosed
EP-0193055-B1 ANTITUMORALS(1,2-DIPHENYL-ETHYLENE DIAMINE)-PLATINUM (II) COMPLEXES ASTA Pharma AG (DE) 1990-05-16 EP disclosed
WO-1989005801-A1 ANTIFUNGAL CARBINOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-29 WO disclosed
WO-1989005581-A1 ANTIFUNGAL CARBINOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-29 WO disclosed
EP-0321211-A1 Antifungal carbinols E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-06-21 EP disclosed
EP-0251086-A2 Antifungal carbinols THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-01-07 EP disclosed
EP-0193055-A1 Antitumorals(1,2-diphenyl-ethylene diamine)-platinum (II) complexes ASTA Pharma AG (DE) 1986-09-03 EP disclosed
US-3972944-A BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160136233-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS NFE2L2 3069/4885PTGS1 2502/4885APP 2998/4885
US-20150011620-A1 ANTI-INVASIVE COMPOUNDS MMP3, MMP10, MIF NFE2L2 1215/4885PTGS1 258/4885APP 4234/4885
US-20150056165-A1 NOVEL CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, MAVS NFE2L2 3069/4885PTGS1 2502/4885APP 2998/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.